SCHEMBL13680965

SCHEMBL13680965

O=CCCc1ncc(-c2ccccc2)s1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.55
FEN1 P39748 1/20 0.55
LOXL2 Q9Y4K0 3/20 0.51
GSTO1 P78417 1/20 0.44
KDR P35968 6/20 0.44
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
LOXL3 P58215 1/20 0.42
ACP1 P24666 1/20 0.42
QPCT Q16769 1/20 0.41
SCD O00767 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
HTR7 P34969 1/20 0.38
CNR1 P21554 1/20 0.38
USP30 Q70CQ3 1/20 0.37
FFAR2 O15552 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31595961 0.83 ERCC5 (0.58) ERCC5FEN1LOXL2GSTO1KDR
SCHEMBL28040902 0.80 ERCC5 (0.51) ERCC5FEN1LOXL2GSTO1KDR
SCHEMBL5677058 0.78 LOXL2 (0.49) ERCC5FEN1LOXL2GSTO1KDR
SCHEMBL28815683 0.78 LOXL2 (0.55) ERCC5FEN1LOXL2GSTO1KDR
SCHEMBL2227416 0.78 LOXL2 (0.64) ERCC5FEN1LOXL2KDRCCNE1
SCHEMBL4873585 0.75 LOXL2 (0.53) ERCC5FEN1LOXL2GSTO1KDR
SCHEMBL14268968 0.74 LOXL2 (0.59) ERCC5FEN1LOXL2KDRCCNE1
SCHEMBL25523340 0.74 LOXL2 (0.51) ERCC5FEN1LOXL2KDRCCNE1
SCHEMBL8830055 0.74 LOXL2 (0.58) ERCC5FEN1LOXL2KDRCCNE1
SCHEMBL2226631 0.74 LOXL2 (0.58) ERCC5FEN1LOXL2GSTO1KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed